Structure of PDB 7odg Chain L Binding Site BS01

Receptor Information

>7odg Chain L (length=598) Species: 381666 (Cupriavidus necator H16) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

AYATQGFNLDDRGRRIVVDPVTRIEGHMRCEVNVDANNVIRNAVSTGTMW
RGLEVILKGRDPRDAWAFVERICGVCTGCHALASVRAVENALDIRIPKNA
HLIREIMAKTLQVHDHAVHFYHLHALDWVDVMSALKADPKRTSELQQLVS
PAHPLSSAGYFRDIQNRLKRFVESGQLGPFMNGYWGSKAYVLPPEANLMA
VTHYLEALDLQKEWVKIHTIFGGKNPHPNYLVGGVPCAINLDAASAPVNM
ERLSFVKARIDEIIEFNKNVYVPDVLAIGTLYKQAGWLYGGGLAATNVLD
YGEYPNVAYNKSTDQLPGGAILNGNWDEVFPVDPRDSQQVQEFVSHSWYK
YADESVGLHPWDGVTEPNYVLGANTKGTRTRIEQIDESAKYSWIKSPRWR
GHAMEVGPLSRYILAYAHARSGNKYAERPKEQLEYSAQMINSAIPKALGL
PETQYTLKQLLPSTIGRTLARALESQYCGEMMHSDWHDLVANIRAGDTAT
ANVDKWDPATWPLQAKGVGTVAAPRGALGHWIRIKDGRIENYQCVVPTTW
NGSPRDYKGQIGAFEASLMNTPMVNPEQPVEILRTLHSFDPCLACSTH

Ligand information

Ligand ID

NFU

InChI

InChI=1S/2CN.CHO.Fe.Ni/c3*1-2;;/h;;1H;;

InChIKey

QCZROEOIPZWDEO-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.370	[Ni]\|[Fe](C=O)(C#N)C#N
ACDLabs 12.01	N#C[Fe]([Ni])(C#N)C=O
OpenEye OEToolkits 1.7.0	C(=O)[Fe](C#N)(C#N)[Ni]

Formula

C3 H Fe N2 Ni O

Name

formyl[bis(hydrocyanato-1kappaC)]ironnickel(Fe-Ni);
NI-FE REDUCED ACTIVE CENTER

ChEMBL

DrugBank

ZINC

PDB chain

7odg Chain L Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7odg Resonance Raman spectroscopic analysis of the iron-sulfur cluster redox chain of the Ralstonia eutropha membrane-bound [NiFe]-hydrogenase
Resolution	1.62 Å
Binding residue (original residue number in PDB)	C75 C78 C81 H82 A528 P529 R530 L533 V551 P552 T553 C597 C600
Binding residue (residue number reindexed from 1)	C73 C76 C79 H80 A523 P524 R525 L528 V546 P547 T548 C592 C595
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	E27 C75 C78 H82 R530 T553 C597 C600
Catalytic site (residue number reindexed from 1)	E25 C73 C76 H80 R525 T548 C592 C595
Enzyme Commision number	1.12.99.6: hydrogenase (acceptor).

Gene Ontology

	Molecular Function
GO:0005515	protein binding
GO:0008901	ferredoxin hydrogenase activity
GO:0016151	nickel cation binding
GO:0016491	oxidoreductase activity
GO:0033748	hydrogenase (acceptor) activity
GO:0046872	metal ion binding

	Cellular Component
GO:0005886	plasma membrane

View graph for
Molecular Function

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Cellular Component

External links

PDB	RCSB:7odg, PDBe:7odg, PDBj:7odg
PDBsum	7odg
PubMed
UniProt	P31891\|MBHL_CUPNH Uptake hydrogenase large subunit (Gene Name=hoxG)

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